%chk=000063496.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063496

0 1
 Br   5.640700      -1.701000      0.8213000    
 O    1.271500       2.790300     -0.7761000    
 O   -5.744500      -1.050600      0.3550000    
 O   -6.850100       1.442700     -0.1788000    
 N   0.8979000      0.5042000     -0.4408000    
 N    2.729500     -0.9224000      0.1065000    
 C  -0.5394000      0.6546000     -0.6791000    
 C   -1.289200      0.9243000      0.6279000    
 C    1.473300     -0.7453000     -0.1641000    
 C    1.681500       1.667500     -0.4948000    
 C    3.114300       1.479400     -0.1833000    
 C   -2.768200       1.059100      0.4140000    
 C    3.575400      0.1939000      0.1111000    
 C   0.6110000      -1.941600     -0.1798000    
 C    3.989100       2.571900     -0.1785000    
 C   -3.579100     -6.8099998E-02  0.4851000    
 C   -3.314100       2.309500      0.1466000    
 C    4.930500      1.4300000E-02  0.4123000    
 C  -2.4499999E-02  -2.350100      0.9879000    
 C   0.4394000      -2.650900      -1.363900    
 C    5.336200       2.377700      0.1234000    
 C   -4.954000      5.6800000E-02  0.2861000    
 C    5.806900       1.100400      0.4189000    
 C   -4.689000       2.434200     -5.2499998E-02
 C   -5.508900       1.308000      1.7300000E-02
 C  -0.8412000      -3.480700      0.9714000    
 C  -0.3774000      -3.781600      -1.380300    
 C   -1.017700      -4.196500     -0.2127000    
 H  -0.7002000       1.489600      -1.372800    
 H  -0.9434000     -0.2305000      -1.179000    
 H  -0.9036000       1.842300       1.091900    
 H   -1.099000      0.1424000       1.369300    
 H    3.641500       3.576100     -0.4045000    
 H   -3.144100      -1.042300      0.6925000    
 H   -2.684500       3.193000      8.7800004E-02
 H   0.1162000      -1.808500       1.919200    
 H   0.9334000      -2.334800      -2.278700    
 H    6.018500       3.222700      0.1286000    
 H    6.860700      0.9696000      0.6517000    
 H   -5.115100       3.411600     -0.2621000    
 H   -1.337900      -3.805000       1.881200    
 H  -0.5151000      -4.338600      -2.302400    
 H   -1.653500      -5.076800     -0.2255000    
 H   -5.188800      -1.825200      0.5482000    
 H   -7.261200      0.5648000     -9.4700001E-02


%chk=000063496-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063496

0 1
Br 5.548792 -1.538021 1.514381
O 1.093714 2.655018 -1.009470
O -6.058056 -0.592823 0.728634
O -6.934326 1.743378 -0.306349
N 0.862539 0.363466 -0.547979
N 2.704175 -0.946014 0.294183
C -0.608617 0.544540 -0.727957
C -1.278224 1.055610 0.579766
C 1.452279 -0.852837 -0.144444
C 1.634253 1.573157 -0.627723
C 3.039740 1.451759 -0.200447
C -2.773057 1.246866 0.379135
C 3.508756 0.192941 0.304804
C 0.675996 -2.128455 -0.225211
C 3.884285 2.589159 -0.242710
C -3.681881 0.199605 0.686753
C -3.283233 2.453615 -0.163328
C 4.852461 0.135105 0.789310
C 0.695854 -3.007348 0.887825
C 0.009257 -2.528607 -1.414224
C 5.202942 2.492236 0.226313
C -5.057926 0.372209 0.456468
C 5.687460 1.261748 0.750521
C -4.666917 2.624792 -0.394488
C -5.562257 1.583714 -0.086116
C 0.027997 -4.249067 0.827519
C -0.646227 -3.776998 -1.476766
C -0.649321 -4.635858 -0.352716
H -0.751834 1.288473 -1.528136
H -1.065347 -0.405714 -1.031223
H -0.803020 2.010977 0.864592
H -1.083445 0.324295 1.387408
H 3.474881 3.524947 -0.635231
H -3.306749 -0.742345 1.110248
H -2.591888 3.270095 -0.401102
H 1.254864 -2.714086 1.782147
H 0.039373 -1.887798 -2.303084
H 5.868293 3.360814 0.198776
H 6.713390 1.189864 1.123421
H -5.067315 3.555498 -0.806798
H 0.046700 -4.918499 1.694310
H -1.143217 -4.082264 -2.403827
H -1.160056 -5.603886 -0.402138
H -5.680030 -1.416153 1.119363
H -7.401254 0.913289 -0.023609


